1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol

C13H22N2O3 — CID 54061423

IUPAC1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
SMILESCC1(C)CC(n2c(O)ccc2O)CC(C)(C)N1O
InChIInChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9,16-18H,7-8H2,1-4H3
InChIKeyLZZKQIVAKJFWTQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.48
Rot. Bonds1

About 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol

1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol (PubChem CID 54061423) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
PubChem CID54061423
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
SMILESCC1(C)CC(n2c(O)ccc2O)CC(C)(C)N1O
InChIInChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9,16-18H,7-8H2,1-4H3
InChIKeyLZZKQIVAKJFWTQ-UHFFFAOYSA-N
XLogP2.48
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Pentylpyrrole-2,5-diol
CID 54382624
1-(Piperidin-4-ylmethyl)pyrrole-2,5-diol
CID 53633036
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
4-(2,5-Dihydroxypyrrol-1-yl)-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 53666381
1-Heptylpyrrole-2,5-diol
CID 53681999
1-Octadecylpyrrole-2,5-diol
CID 53699736
3-(2,5-Dihydroxypyrrol-1-yl)propyl-hexadecyl-dimethylazanium
CID 53718629
1-Butan-2-ylpyrrole-2,5-diol
CID 53733042
1-[3-(Diethylamino)propyl]pyrrole-2,5-diol
CID 53794744
3-Methyl-1-octylpyrrole-2,5-diol
CID 53873295
1-[10-(Dimethylamino)decyl]pyrrole-2,5-diol
CID 53913410
1-Cyclohexylpyrrole-2,5-diol
CID 53921835

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol?
The IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol (CID 54061423) is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol?
The canonical SMILES for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol is CC1(C)CC(n2c(O)ccc2O)CC(C)(C)N1O.
What is the InChIKey of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol?
The InChIKey is LZZKQIVAKJFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9,16-18H,7-8H2,1-4H3.
What are the key properties of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol?
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol has a molecular weight of 254.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol is sourced from PubChem (CID 54061423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).